N-(4-ethyl-3-nitro-phenyl)-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: N-(4-ethyl-3-nitro-phenyl)-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(4-ethyl-3-nitro-phenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: N-(4-ethyl-3-nitrophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: N-(4-ethyl-3-nitrophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-(4-ethyl-3-nitro-phenyl)-4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C21H17F3N4O4 MolecularWeight: 446.37929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N4O4/c1-3-13-7-8-15(11-17(13)28(31)32)25-20(30)19-18(29)9-12(2)27(26-19)16-6-4-5-14(10-16)21(22,23)24/h4-11H,3H2,1-2H3,(H,25,30)